3-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-amine

C12H12BrClN2O — CID 107994673

IUPAC3-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESNCCCc1ncc(-c2ccc(Cl)cc2Br)o1
InChIInChI=1S/C12H12BrClN2O/c13-10-6-8(14)3-4-9(10)11-7-16-12(17-11)2-1-5-15/h3-4,6-7H,1-2,5,15H2
InChIKeyZFZQARDDMHAFGY-UHFFFAOYSA-N
MW315.60 g/mol
LogP3.65
Rot. Bonds4

About 3-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-amine

3-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 107994673) has the molecular formula C12H12BrClN2O and a molecular weight of 315.60 g/mol. Its IUPAC name is 3-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID107994673
Molecular FormulaC12H12BrClN2O
Molecular Weight315.60 g/mol
Exact Mass313.98
IUPAC Name3-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESNCCCc1ncc(-c2ccc(Cl)cc2Br)o1
InChIInChI=1S/C12H12BrClN2O/c13-10-6-8(14)3-4-9(10)11-7-16-12(17-11)2-1-5-15/h3-4,6-7H,1-2,5,15H2
InChIKeyZFZQARDDMHAFGY-UHFFFAOYSA-N
XLogP3.65
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.60
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178598
2-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 107994739
N-[2-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 107994742
N-[[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 107994680
N-[[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107994699
3-[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 82879725
3-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 80538064
3-[5-(5-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 112742085
3-[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 107941921
2-(2-chloroethyl)-5-(4-chloro-2-fluorophenyl)-1,3-oxazole
CID 65179480
3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 102885542
3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178654

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-amine (CID 107994673) is 3-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-amine is NCCCc1ncc(-c2ccc(Cl)cc2Br)o1.
What is the InChIKey of 3-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is ZFZQARDDMHAFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O/c13-10-6-8(14)3-4-9(10)11-7-16-12(17-11)2-1-5-15/h3-4,6-7H,1-2,5,15H2.
What are the key properties of 3-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-amine?
3-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 315.60 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 107994673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).